UCSF

ZINC44138443

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 16 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.44 1.51 -44.54 1 5 -1 94 241.244 3
Ref Reference (pH 7) 0.44 2.06 -47.59 1 5 -1 94 241.244 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )